7-amino-N-[(4-chloro-2-methoxyphenyl)methyl]heptanamide

C15H23ClN2O2 — CID 119779149

IUPAC7-amino-N-[(4-chloro-2-methoxyphenyl)methyl]heptanamide
SMILESCOc1cc(Cl)ccc1CNC(=O)CCCCCCN
InChIInChI=1S/C15H23ClN2O2/c1-20-14-10-13(16)8-7-12(14)11-18-15(19)6-4-2-3-5-9-17/h7-8,10H,2-6,9,11,17H2,1H3,(H,18,19)
InChIKeyWZKRXTIXLQHMEA-UHFFFAOYSA-N
MW298.81 g/mol
LogP2.87
Rot. Bonds9

About 7-amino-N-[(4-chloro-2-methoxyphenyl)methyl]heptanamide

7-amino-N-[(4-chloro-2-methoxyphenyl)methyl]heptanamide (PubChem CID 119779149) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 7-amino-N-[(4-chloro-2-methoxyphenyl)methyl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[(4-chloro-2-methoxyphenyl)methyl]heptanamide
PubChem CID119779149
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name7-amino-N-[(4-chloro-2-methoxyphenyl)methyl]heptanamide
SMILESCOc1cc(Cl)ccc1CNC(=O)CCCCCCN
InChIInChI=1S/C15H23ClN2O2/c1-20-14-10-13(16)8-7-12(14)11-18-15(19)6-4-2-3-5-9-17/h7-8,10H,2-6,9,11,17H2,1H3,(H,18,19)
InChIKeyWZKRXTIXLQHMEA-UHFFFAOYSA-N
XLogP2.87
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[(2,3,4-trimethoxyphenyl)methyl]butanamide
CID 119285338
N,N'-bis[(2-chloro-4,5-dimethoxyphenyl)methyl]octanediamide
CID 54786049
5-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pentanamide
CID 103292504
4-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]butanamide
CID 110297627
7-amino-N-[(4-chlorophenyl)methyl]heptanamide
CID 28738770
3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]propanamide
CID 82110952
1-amino-N-[(4-chloro-2-methoxyphenyl)methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119779146
6-amino-N-[(2,3,4-trifluorophenyl)methyl]hexanamide
CID 110482622
7-amino-N-[[2-(methoxymethyl)phenyl]methyl]heptanamide
CID 60924992
4-amino-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]butanamide
CID 119316746
3-[(4-chloro-2-methoxyphenyl)methylamino]-2-methyl-3-oxopropanoic acid
CID 122065539
4-amino-N-[(3-chloro-4-methoxyphenyl)methyl]butanamide;hydrochloride
CID 119337512

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[(4-chloro-2-methoxyphenyl)methyl]heptanamide?
The IUPAC name of 7-amino-N-[(4-chloro-2-methoxyphenyl)methyl]heptanamide (CID 119779149) is 7-amino-N-[(4-chloro-2-methoxyphenyl)methyl]heptanamide.
What is the SMILES notation for 7-amino-N-[(4-chloro-2-methoxyphenyl)methyl]heptanamide?
The canonical SMILES for 7-amino-N-[(4-chloro-2-methoxyphenyl)methyl]heptanamide is COc1cc(Cl)ccc1CNC(=O)CCCCCCN.
What is the InChIKey of 7-amino-N-[(4-chloro-2-methoxyphenyl)methyl]heptanamide?
The InChIKey is WZKRXTIXLQHMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-20-14-10-13(16)8-7-12(14)11-18-15(19)6-4-2-3-5-9-17/h7-8,10H,2-6,9,11,17H2,1H3,(H,18,19).
What are the key properties of 7-amino-N-[(4-chloro-2-methoxyphenyl)methyl]heptanamide?
7-amino-N-[(4-chloro-2-methoxyphenyl)methyl]heptanamide has a molecular weight of 298.81 g/mol, XLogP of 2.87, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[(4-chloro-2-methoxyphenyl)methyl]heptanamide is sourced from PubChem (CID 119779149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).